N-[3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]ethanamide

Systemtic Name: N-[3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]ethanamide Openeye Name: N-[3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-thioxo-1,2,4-triazol-4-yl]phenyl]acetamide CAS Name: N-[3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]acetamide IUPAC Name: N-[3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-sulfanylidene-1,2,4-triazol-4-yl]phenyl]acetamide Traditional Name: N-[3-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-thioxo-1,2,4-triazol-4-yl]phenyl]acetamide Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C=NN(C2=S)CN3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C=NN(C2=S)CN3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H21N5OS/c1-15(26)22-18-7-4-8-19(11-18)24-13-21-25(20(24)27)14-23-10-9-16-5-2-3-6-17(16)12-23/h2-8,11,13H,9-10,12,14H2,1H3,(H,22,26)